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PUBCHEM-ZINC03631464

 MMsINC code: MMs03027691
Type: Neutral
Formula: C11H26NO+
SMILES:   OCC[N+](CCCC)(CCCC)C
InChI:   InChI=1/C11H26NO/c1-4-6-8-12(3,10-11-13)9-7-5-2/h13H,4-11H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.335 g/mol  logS: -1.24391  SlogP: 2.0255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104643  Sterimol/B1: 3.15588  Sterimol/B2: 3.18748  Sterimol/B3: 3.65487
  Sterimol/B4: 4.77541  Sterimol/L: 14.6375 
 
 Surface and Volume Properties
  Accessible surface: 439.49  Positive charged surface: 375.599  Negative charged surface: 63.8912  Volume: 225.75
  Hydrophobic surface: 333.237  Hydrophilic surface: 106.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.